Compound Detail
CHEMBL143228
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Basic Information
| ChEMBL ID | CHEMBL143228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGYPGJCVNPPUPE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.56
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 10.15 | 10.15 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.96 | 8.96 | 1.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | Ki | = | 0.07 | nM | 10.15 | In vitro for binding affinity for muscarinic acetylcholine receptors in homogeni... | 11087580 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 1.1 | nM | 8.96 | Displacement of [3H]N-methyl scopolamine from human cloned muscarinic M3 recepto... | 26471092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26471092 | 10.1016/j.bmcl.2015.10.008 | Muscarinic acetylcholine receptor M3 | 2 |
| 26471092 | 10.1016/j.bmcl.2015.10.008 | Liver microsome | 2 |
| 11087580 | 10.1021/jm000305o | Muscarinic acetylcholine receptor | 1 |
| 11087580 | 10.1021/jm000305o | No relevant target | 1 |
| 561845 | 10.1021/jm00220a005 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine